methyl 1-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)OC)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)OC)SC(=C2C)C

InChI

InChI=1S/C21H29N3O4S2/c1-5-6-9-24-19(26)17-13(2)14(3)30-18(17)22-21(24)29-12-16(25)23-10-7-15(8-11-23)20(27)28-4/h15H,5-12H2,1-4H3